ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate

C11H15ClN4O2 — CID 117100436

IUPACethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)nnc1N1CCNCC1
InChIInChI=1S/C11H15ClN4O2/c1-2-18-11(17)8-7-9(12)14-15-10(8)16-5-3-13-4-6-16/h7,13H,2-6H2,1H3
InChIKeyXKNFEVBRBFUZQX-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.72
Rot. Bonds3

About ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate

ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate (PubChem CID 117100436) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate
PubChem CID117100436
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Nameethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)nnc1N1CCNCC1
InChIInChI=1S/C11H15ClN4O2/c1-2-18-11(17)8-7-9(12)14-15-10(8)16-5-3-13-4-6-16/h7,13H,2-6H2,1H3
InChIKeyXKNFEVBRBFUZQX-UHFFFAOYSA-N
XLogP0.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-bromo-2-chloro-5-piperazin-1-ylbenzoate
CID 15907525
ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate
CID 136560155
methyl 6-methoxy-3-piperazin-1-ylpyridazine-4-carboxylate
CID 117100433
methyl 3-(6-azaspiro[2.5]octan-6-yl)-6-chloropyridazine-4-carboxylate
CID 169123892
ethyl 6-chloro-3-(methylamino)pyridazine-4-carboxylate
CID 77231539
ethyl 2-chloro-4-(1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine-5-carboxylate
CID 82065887
2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 177356020
tert-butyl formate;ethyl 2-chloro-3-methyl-6-piperazin-1-ylpyridine-4-carboxylate
CID 174618782
6-chloro-3-(4-propan-2-ylpiperidin-1-yl)pyridazine-4-carboxamide
CID 133341091
ethyl 5-piperazin-1-ylpyrimidine-2-carboxylate
CID 90194836
ethyl 5-cyano-6-(1,4-diazepan-1-yl)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 2747102
ethyl 2-nitro-5-piperazin-1-ylbenzoate
CID 68652562

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate?
The IUPAC name of ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate (CID 117100436) is ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate is CCOC(=O)c1cc(Cl)nnc1N1CCNCC1.
What is the InChIKey of ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate?
The InChIKey is XKNFEVBRBFUZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-2-18-11(17)8-7-9(12)14-15-10(8)16-5-3-13-4-6-16/h7,13H,2-6H2,1H3.
What are the key properties of ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate?
ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate has a molecular weight of 270.72 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate is sourced from PubChem (CID 117100436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).